Base information
| Cat. No. | |
| CAS No. | 621-50-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6N2O2 |
| Molecular Weight | 162.145 |
| Exact Mass | 162.043 |
| XLogP3 | 2.18408 |
| Mr | 44.786 |
| PSA | 69.61 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#CCc1cccc(c1)[N+](=O)[O-] |
